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A selective and orally bioavailable VHL-recruiting PROTAC achieves SMARCA2 degradation in vivo

Targeted protein degradation offers an alternative modality to classical inhibition and holds the promise of addressing previously undruggable targets to provide novel therapeutic options for patients. Heterobifunctional molecules co-recruit a target protein and an E3 ligase, resulting in ubiquityla...

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Autores principales: Kofink, Christiane, Trainor, Nicole, Mair, Barbara, Wöhrle, Simon, Wurm, Melanie, Mischerikow, Nikolai, Roy, Michael J., Bader, Gerd, Greb, Peter, Garavel, Géraldine, Diers, Emelyne, McLennan, Ross, Whitworth, Claire, Vetma, Vesna, Rumpel, Klaus, Scharnweber, Maximilian, Fuchs, Julian E., Gerstberger, Thomas, Cui, Yunhai, Gremel, Gabriela, Chetta, Paolo, Hopf, Stefan, Budano, Nicole, Rinnenthal, Joerg, Gmaschitz, Gerhard, Mayer, Moriz, Koegl, Manfred, Ciulli, Alessio, Weinstabl, Harald, Farnaby, William
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9551036/
https://www.ncbi.nlm.nih.gov/pubmed/36216795
http://dx.doi.org/10.1038/s41467-022-33430-6
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author Kofink, Christiane
Trainor, Nicole
Mair, Barbara
Wöhrle, Simon
Wurm, Melanie
Mischerikow, Nikolai
Roy, Michael J.
Bader, Gerd
Greb, Peter
Garavel, Géraldine
Diers, Emelyne
McLennan, Ross
Whitworth, Claire
Vetma, Vesna
Rumpel, Klaus
Scharnweber, Maximilian
Fuchs, Julian E.
Gerstberger, Thomas
Cui, Yunhai
Gremel, Gabriela
Chetta, Paolo
Hopf, Stefan
Budano, Nicole
Rinnenthal, Joerg
Gmaschitz, Gerhard
Mayer, Moriz
Koegl, Manfred
Ciulli, Alessio
Weinstabl, Harald
Farnaby, William
author_facet Kofink, Christiane
Trainor, Nicole
Mair, Barbara
Wöhrle, Simon
Wurm, Melanie
Mischerikow, Nikolai
Roy, Michael J.
Bader, Gerd
Greb, Peter
Garavel, Géraldine
Diers, Emelyne
McLennan, Ross
Whitworth, Claire
Vetma, Vesna
Rumpel, Klaus
Scharnweber, Maximilian
Fuchs, Julian E.
Gerstberger, Thomas
Cui, Yunhai
Gremel, Gabriela
Chetta, Paolo
Hopf, Stefan
Budano, Nicole
Rinnenthal, Joerg
Gmaschitz, Gerhard
Mayer, Moriz
Koegl, Manfred
Ciulli, Alessio
Weinstabl, Harald
Farnaby, William
author_sort Kofink, Christiane
collection PubMed
description Targeted protein degradation offers an alternative modality to classical inhibition and holds the promise of addressing previously undruggable targets to provide novel therapeutic options for patients. Heterobifunctional molecules co-recruit a target protein and an E3 ligase, resulting in ubiquitylation and proteosome-dependent degradation of the target. In the clinic, the oral route of administration is the option of choice but has only been achieved so far by CRBN- recruiting bifunctional degrader molecules. We aimed to achieve orally bioavailable molecules that selectively degrade the BAF Chromatin Remodelling complex ATPase SMARCA2 over its closely related paralogue SMARCA4, to allow in vivo evaluation of the synthetic lethality concept of SMARCA2 dependency in SMARCA4-deficient cancers. Here we outline structure- and property-guided approaches that led to orally bioavailable VHL-recruiting degraders. Our tool compound, ACBI2, shows selective degradation of SMARCA2 over SMARCA4 in ex vivo human whole blood assays and in vivo efficacy in SMARCA4-deficient cancer models. This study demonstrates the feasibility for broadening the E3 ligase and physicochemical space that can be utilised for achieving oral efficacy with bifunctional molecules.
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spelling pubmed-95510362022-10-12 A selective and orally bioavailable VHL-recruiting PROTAC achieves SMARCA2 degradation in vivo Kofink, Christiane Trainor, Nicole Mair, Barbara Wöhrle, Simon Wurm, Melanie Mischerikow, Nikolai Roy, Michael J. Bader, Gerd Greb, Peter Garavel, Géraldine Diers, Emelyne McLennan, Ross Whitworth, Claire Vetma, Vesna Rumpel, Klaus Scharnweber, Maximilian Fuchs, Julian E. Gerstberger, Thomas Cui, Yunhai Gremel, Gabriela Chetta, Paolo Hopf, Stefan Budano, Nicole Rinnenthal, Joerg Gmaschitz, Gerhard Mayer, Moriz Koegl, Manfred Ciulli, Alessio Weinstabl, Harald Farnaby, William Nat Commun Article Targeted protein degradation offers an alternative modality to classical inhibition and holds the promise of addressing previously undruggable targets to provide novel therapeutic options for patients. Heterobifunctional molecules co-recruit a target protein and an E3 ligase, resulting in ubiquitylation and proteosome-dependent degradation of the target. In the clinic, the oral route of administration is the option of choice but has only been achieved so far by CRBN- recruiting bifunctional degrader molecules. We aimed to achieve orally bioavailable molecules that selectively degrade the BAF Chromatin Remodelling complex ATPase SMARCA2 over its closely related paralogue SMARCA4, to allow in vivo evaluation of the synthetic lethality concept of SMARCA2 dependency in SMARCA4-deficient cancers. Here we outline structure- and property-guided approaches that led to orally bioavailable VHL-recruiting degraders. Our tool compound, ACBI2, shows selective degradation of SMARCA2 over SMARCA4 in ex vivo human whole blood assays and in vivo efficacy in SMARCA4-deficient cancer models. This study demonstrates the feasibility for broadening the E3 ligase and physicochemical space that can be utilised for achieving oral efficacy with bifunctional molecules. Nature Publishing Group UK 2022-10-10 /pmc/articles/PMC9551036/ /pubmed/36216795 http://dx.doi.org/10.1038/s41467-022-33430-6 Text en © The Author(s) 2022 https://creativecommons.org/licenses/by/4.0/Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) .
spellingShingle Article
Kofink, Christiane
Trainor, Nicole
Mair, Barbara
Wöhrle, Simon
Wurm, Melanie
Mischerikow, Nikolai
Roy, Michael J.
Bader, Gerd
Greb, Peter
Garavel, Géraldine
Diers, Emelyne
McLennan, Ross
Whitworth, Claire
Vetma, Vesna
Rumpel, Klaus
Scharnweber, Maximilian
Fuchs, Julian E.
Gerstberger, Thomas
Cui, Yunhai
Gremel, Gabriela
Chetta, Paolo
Hopf, Stefan
Budano, Nicole
Rinnenthal, Joerg
Gmaschitz, Gerhard
Mayer, Moriz
Koegl, Manfred
Ciulli, Alessio
Weinstabl, Harald
Farnaby, William
A selective and orally bioavailable VHL-recruiting PROTAC achieves SMARCA2 degradation in vivo
title A selective and orally bioavailable VHL-recruiting PROTAC achieves SMARCA2 degradation in vivo
title_full A selective and orally bioavailable VHL-recruiting PROTAC achieves SMARCA2 degradation in vivo
title_fullStr A selective and orally bioavailable VHL-recruiting PROTAC achieves SMARCA2 degradation in vivo
title_full_unstemmed A selective and orally bioavailable VHL-recruiting PROTAC achieves SMARCA2 degradation in vivo
title_short A selective and orally bioavailable VHL-recruiting PROTAC achieves SMARCA2 degradation in vivo
title_sort selective and orally bioavailable vhl-recruiting protac achieves smarca2 degradation in vivo
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9551036/
https://www.ncbi.nlm.nih.gov/pubmed/36216795
http://dx.doi.org/10.1038/s41467-022-33430-6
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